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Public Member Functions | Private Attributes | List of all members
core::energy_methods::GoapRsdType Class Reference

#include <GoapEnergy.hh>

Inheritance diagram for core::energy_methods::GoapRsdType:
Inheritance graph
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Public Member Functions

 GoapRsdType ()
 
 ~GoapRsdType () override
 
void setup_rsdtype (chemical::ResidueTypeCOP rsd)
 
void setup_connectivity (chemical::ResidueType const &rsd)
 
void set_atmid (Size const i, Size const j)
 
void add_atmname_using (std::string const &str)
 
void set_root_atom (Size const i, Size const j)
 
void set_branch_atom (Size const i, Size const j)
 
void set_angle_atom (Size const i, Size const j)
 
void set_using (Size const i, bool const val)
 
Size natom () const
 
Size nusing () const
 
std::string atmname_using (Size const i) const
 
bool is_using (Size const i) const
 
bool connected_by_twobonds (Size const i) const
 
Size i2 (Size const i) const
 
Size i3 (Size const i) const
 
Size atmid (Size const i) const
 
std::string name () const
 

Private Attributes

Size natom_
 
utility::vector1< std::string > atmname_using_
 
utility::vector1< boolis_using_
 
utility::vector1< boolconnected_by_twobonds_
 
utility::vector1< Sizei2_
 
utility::vector1< Sizei3_
 
utility::vector1< Sizeatmid_
 
std::map< Size, Sizeroot_atom_
 
std::map< Size, Sizebranch_atom_
 
std::map< Size, Sizeangle_atom_
 
std::string name_
 

Constructor & Destructor Documentation

core::energy_methods::GoapRsdType::GoapRsdType ( )
default
core::energy_methods::GoapRsdType::~GoapRsdType ( )
overridedefault

Member Function Documentation

void core::energy_methods::GoapRsdType::add_atmname_using ( std::string const &  str)
inline

References atmname_using_.

Size core::energy_methods::GoapRsdType::atmid ( Size const  i) const
inline

References atmid_.

std::string core::energy_methods::GoapRsdType::atmname_using ( Size const  i) const
inline

References atmname_using_.

bool core::energy_methods::GoapRsdType::connected_by_twobonds ( Size const  i) const
inline
Size core::energy_methods::GoapRsdType::i2 ( Size const  i) const
inline

References i2_.

Size core::energy_methods::GoapRsdType::i3 ( Size const  i) const
inline

References i3_.

bool core::energy_methods::GoapRsdType::is_using ( Size const  i) const
inline

References is_using_.

std::string core::energy_methods::GoapRsdType::name ( ) const
inline

References name_.

Size core::energy_methods::GoapRsdType::natom ( ) const
inline

References natom_.

Size core::energy_methods::GoapRsdType::nusing ( ) const
inline

References atmname_using_.

void core::energy_methods::GoapRsdType::set_angle_atom ( Size const  i,
Size const  j 
)
inline

References angle_atom_.

void core::energy_methods::GoapRsdType::set_atmid ( Size const  i,
Size const  j 
)
inline

References atmid_.

void core::energy_methods::GoapRsdType::set_branch_atom ( Size const  i,
Size const  j 
)
inline

References branch_atom_.

void core::energy_methods::GoapRsdType::set_root_atom ( Size const  i,
Size const  j 
)
inline

References root_atom_.

void core::energy_methods::GoapRsdType::set_using ( Size const  i,
bool const  val 
)
inline
void core::energy_methods::GoapRsdType::setup_connectivity ( chemical::ResidueType const &  rsd)
void core::energy_methods::GoapRsdType::setup_rsdtype ( chemical::ResidueTypeCOP  rsd)

Member Data Documentation

std::map< Size, Size > core::energy_methods::GoapRsdType::angle_atom_
private

Referenced by set_angle_atom().

utility::vector1< Size > core::energy_methods::GoapRsdType::atmid_
private

Referenced by atmid(), and set_atmid().

utility::vector1< std::string > core::energy_methods::GoapRsdType::atmname_using_
private
std::map< Size, Size > core::energy_methods::GoapRsdType::branch_atom_
private

Referenced by set_branch_atom().

utility::vector1< bool > core::energy_methods::GoapRsdType::connected_by_twobonds_
private

Referenced by connected_by_twobonds().

utility::vector1< Size > core::energy_methods::GoapRsdType::i2_
private

Referenced by i2().

utility::vector1< Size > core::energy_methods::GoapRsdType::i3_
private

Referenced by i3().

utility::vector1< bool > core::energy_methods::GoapRsdType::is_using_
private

Referenced by is_using(), and set_using().

std::string core::energy_methods::GoapRsdType::name_
private

Referenced by name().

Size core::energy_methods::GoapRsdType::natom_
private

Referenced by natom().

std::map< Size, Size > core::energy_methods::GoapRsdType::root_atom_
private

Referenced by set_root_atom().


The documentation for this class was generated from the following files: